(1S)-1-(2,5-dichlorophenyl)-2-[(2S)-2,4-dimethylpiperazin-1-yl]ethanol

C14H20Cl2N2O — CID 100857129

IUPAC(1S)-1-(2,5-dichlorophenyl)-2-[(2S)-2,4-dimethylpiperazin-1-yl]ethanol
SMILESC[C@H]1CN(C)CCN1C[C@@H](O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-10-8-17(2)5-6-18(10)9-14(19)12-7-11(15)3-4-13(12)16/h3-4,7,10,14,19H,5-6,8-9H2,1-2H3/t10-,14+/m0/s1
InChIKeyJVPCVSWQSZPWIR-IINYFYTJSA-N
MW303.23 g/mol
LogP2.66
Rot. Bonds3

About (1S)-1-(2,5-dichlorophenyl)-2-[(2S)-2,4-dimethylpiperazin-1-yl]ethanol

(1S)-1-(2,5-dichlorophenyl)-2-[(2S)-2,4-dimethylpiperazin-1-yl]ethanol (PubChem CID 100857129) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is (1S)-1-(2,5-dichlorophenyl)-2-[(2S)-2,4-dimethylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(2,5-dichlorophenyl)-2-[(2S)-2,4-dimethylpiperazin-1-yl]ethanol
PubChem CID100857129
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name(1S)-1-(2,5-dichlorophenyl)-2-[(2S)-2,4-dimethylpiperazin-1-yl]ethanol
SMILESC[C@H]1CN(C)CCN1C[C@@H](O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-10-8-17(2)5-6-18(10)9-14(19)12-7-11(15)3-4-13(12)16/h3-4,7,10,14,19H,5-6,8-9H2,1-2H3/t10-,14+/m0/s1
InChIKeyJVPCVSWQSZPWIR-IINYFYTJSA-N
XLogP2.66
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanol
CID 71877571
(1S)-1-(2,5-dichlorophenyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol
CID 100839211
(1S)-2-[(2R)-2,4-dimethylpiperazin-1-yl]-1-(3-fluorophenyl)ethanol
CID 100846119
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
CID 98798810
(2S)-1-[(2R)-4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124780336
(1S)-1-(4-chlorophenyl)-2-[(3R)-4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-methylpiperazin-1-yl]ethanol
CID 30738286
(3S)-1-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxyethyl]piperidin-3-ol
CID 94379698
[1-[1-(2,5-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504678
(1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol
CID 95322001
2-amino-1-(2,5-dichlorophenyl)ethanol
CID 18628108
(2S)-2,4-dimethyl-1-(2-methylpropyl)piperazine
CID 171515421
(1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol
CID 95602478

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-dichlorophenyl)-2-[(2S)-2,4-dimethylpiperazin-1-yl]ethanol?
The IUPAC name of (1S)-1-(2,5-dichlorophenyl)-2-[(2S)-2,4-dimethylpiperazin-1-yl]ethanol (CID 100857129) is (1S)-1-(2,5-dichlorophenyl)-2-[(2S)-2,4-dimethylpiperazin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(2,5-dichlorophenyl)-2-[(2S)-2,4-dimethylpiperazin-1-yl]ethanol?
The canonical SMILES for (1S)-1-(2,5-dichlorophenyl)-2-[(2S)-2,4-dimethylpiperazin-1-yl]ethanol is C[C@H]1CN(C)CCN1C[C@@H](O)c1cc(Cl)ccc1Cl.
What is the InChIKey of (1S)-1-(2,5-dichlorophenyl)-2-[(2S)-2,4-dimethylpiperazin-1-yl]ethanol?
The InChIKey is JVPCVSWQSZPWIR-IINYFYTJSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-10-8-17(2)5-6-18(10)9-14(19)12-7-11(15)3-4-13(12)16/h3-4,7,10,14,19H,5-6,8-9H2,1-2H3/t10-,14+/m0/s1.
What are the key properties of (1S)-1-(2,5-dichlorophenyl)-2-[(2S)-2,4-dimethylpiperazin-1-yl]ethanol?
(1S)-1-(2,5-dichlorophenyl)-2-[(2S)-2,4-dimethylpiperazin-1-yl]ethanol has a molecular weight of 303.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-dichlorophenyl)-2-[(2S)-2,4-dimethylpiperazin-1-yl]ethanol is sourced from PubChem (CID 100857129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).